USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 GLN : amide:sc= -0.511 K(o=-0.66,f=0.75) USER MOD Set 1.2: A 54 THR OG1 : rot 122:sc= -0.15 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.857 (180deg=-0.924) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.3 K(o=-2.3,f=-9.3!) USER MOD Single : A 19 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.27) USER MOD Single : A 21 THR OG1 : rot 39:sc= 0.618 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc=-0.00099 (180deg=-0.00099) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HE2:sc= -3.99! C(o=-4!,f=-5!) USER MOD Single : A 35 HIS : no HD1:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 123:sc= -0.166 (180deg=-0.769) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 167:sc= 0 (180deg=-0.0924) USER MOD Single : A 43 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.12) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= -0.113 (180deg=-0.996) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.122 -7.752 -8.964 1.00 0.00 N ATOM 2 CA MET A 1 11.554 -7.552 -9.156 1.00 0.00 C ATOM 3 C MET A 1 12.048 -6.353 -8.353 1.00 0.00 C ATOM 4 O MET A 1 13.220 -6.281 -7.985 1.00 0.00 O ATOM 5 CB MET A 1 11.868 -7.352 -10.640 1.00 0.00 C ATOM 6 CG MET A 1 10.978 -6.321 -11.316 1.00 0.00 C ATOM 7 SD MET A 1 11.238 -6.242 -13.098 1.00 0.00 S ATOM 8 CE MET A 1 12.735 -5.262 -13.179 1.00 0.00 C ATOM 0 H1 MET A 1 9.802 -8.552 -9.546 1.00 0.00 H new ATOM 0 H2 MET A 1 9.931 -7.955 -7.962 1.00 0.00 H new ATOM 0 H3 MET A 1 9.610 -6.892 -9.247 1.00 0.00 H new ATOM 0 HA MET A 1 12.071 -8.443 -8.800 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.909 -7.046 -10.745 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.763 -8.306 -11.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.934 -6.561 -11.115 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.169 -5.340 -10.881 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.025 -5.125 -14.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.558 -4.289 -12.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.535 -5.775 -12.644 1.00 0.00 H new ATOM 18 N ALA A 2 11.146 -5.414 -8.085 1.00 0.00 N ATOM 19 CA ALA A 2 11.490 -4.220 -7.324 1.00 0.00 C ATOM 20 C ALA A 2 10.618 -4.091 -6.080 1.00 0.00 C ATOM 21 O ALA A 2 9.505 -4.615 -6.032 1.00 0.00 O ATOM 22 CB ALA A 2 11.354 -2.981 -8.197 1.00 0.00 C ATOM 0 H ALA A 2 10.172 -5.458 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 2 12.527 -4.312 -7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 2 11.614 -2.096 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 2 12.024 -3.063 -9.052 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.326 -2.895 -8.549 1.00 0.00 H new ATOM 28 N LYS A 3 11.130 -3.390 -5.074 1.00 0.00 N ATOM 29 CA LYS A 3 10.398 -3.191 -3.829 1.00 0.00 C ATOM 30 C LYS A 3 10.357 -1.714 -3.452 1.00 0.00 C ATOM 31 O LYS A 3 10.995 -0.881 -4.097 1.00 0.00 O ATOM 32 CB LYS A 3 11.043 -3.999 -2.700 1.00 0.00 C ATOM 33 CG LYS A 3 11.351 -5.437 -3.080 1.00 0.00 C ATOM 34 CD LYS A 3 10.081 -6.227 -3.349 1.00 0.00 C ATOM 35 CE LYS A 3 9.555 -6.885 -2.083 1.00 0.00 C ATOM 36 NZ LYS A 3 8.127 -7.285 -2.218 1.00 0.00 N ATOM 0 H LYS A 3 12.050 -2.950 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 3 9.376 -3.538 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 3 11.966 -3.507 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.378 -3.995 -1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 3 11.985 -5.452 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.914 -5.914 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.319 -5.564 -3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 3 10.279 -6.990 -4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.158 -7.763 -1.853 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.662 -6.197 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.806 -7.730 -1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.548 -6.443 -2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.029 -7.962 -3.002 1.00 0.00 H new ATOM 50 N ASP A 4 9.605 -1.396 -2.404 1.00 0.00 N ATOM 51 CA ASP A 4 9.483 -0.019 -1.940 1.00 0.00 C ATOM 52 C ASP A 4 9.666 0.063 -0.428 1.00 0.00 C ATOM 53 O ASP A 4 8.711 -0.096 0.333 1.00 0.00 O ATOM 54 CB ASP A 4 8.121 0.555 -2.333 1.00 0.00 C ATOM 55 CG ASP A 4 7.816 0.367 -3.806 1.00 0.00 C ATOM 56 OD1 ASP A 4 8.254 1.212 -4.615 1.00 0.00 O ATOM 57 OD2 ASP A 4 7.139 -0.624 -4.151 1.00 0.00 O ATOM 0 H ASP A 4 9.071 -2.073 -1.860 1.00 0.00 H new ATOM 0 HA ASP A 4 10.268 0.570 -2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.343 0.075 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.095 1.618 -2.092 1.00 0.00 H new ATOM 62 N ASP A 5 10.899 0.311 0.000 1.00 0.00 N ATOM 63 CA ASP A 5 11.208 0.414 1.422 1.00 0.00 C ATOM 64 C ASP A 5 11.942 1.717 1.725 1.00 0.00 C ATOM 65 O ASP A 5 13.137 1.713 2.022 1.00 0.00 O ATOM 66 CB ASP A 5 12.053 -0.779 1.869 1.00 0.00 C ATOM 67 CG ASP A 5 11.582 -2.084 1.260 1.00 0.00 C ATOM 68 OD1 ASP A 5 10.624 -2.678 1.797 1.00 0.00 O ATOM 69 OD2 ASP A 5 12.171 -2.513 0.245 1.00 0.00 O ATOM 0 H ASP A 5 11.700 0.444 -0.617 1.00 0.00 H new ATOM 0 HA ASP A 5 10.269 0.411 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.093 -0.607 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 5 12.021 -0.856 2.956 1.00 0.00 H new ATOM 74 N VAL A 6 11.220 2.830 1.648 1.00 0.00 N ATOM 75 CA VAL A 6 11.802 4.139 1.914 1.00 0.00 C ATOM 76 C VAL A 6 10.953 4.928 2.905 1.00 0.00 C ATOM 77 O VAL A 6 9.733 4.766 2.957 1.00 0.00 O ATOM 78 CB VAL A 6 11.955 4.959 0.619 1.00 0.00 C ATOM 79 CG1 VAL A 6 13.111 4.429 -0.216 1.00 0.00 C ATOM 80 CG2 VAL A 6 10.659 4.943 -0.178 1.00 0.00 C ATOM 0 H VAL A 6 10.230 2.851 1.403 1.00 0.00 H new ATOM 0 HA VAL A 6 12.788 3.965 2.344 1.00 0.00 H new ATOM 0 HB VAL A 6 12.177 5.992 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 6 13.203 5.021 -1.127 1.00 0.00 H new ATOM 0 HG12 VAL A 6 14.036 4.498 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.923 3.388 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.785 5.527 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.404 3.916 -0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.858 5.375 0.422 1.00 0.00 H new ATOM 90 N ILE A 7 11.605 5.780 3.687 1.00 0.00 N ATOM 91 CA ILE A 7 10.909 6.595 4.675 1.00 0.00 C ATOM 92 C ILE A 7 11.637 7.914 4.912 1.00 0.00 C ATOM 93 O ILE A 7 12.838 7.931 5.182 1.00 0.00 O ATOM 94 CB ILE A 7 10.766 5.853 6.017 1.00 0.00 C ATOM 95 CG1 ILE A 7 12.143 5.472 6.563 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.896 4.617 5.848 1.00 0.00 C ATOM 97 CD1 ILE A 7 12.586 6.321 7.735 1.00 0.00 C ATOM 0 H ILE A 7 12.614 5.924 3.656 1.00 0.00 H new ATOM 0 HA ILE A 7 9.916 6.798 4.273 1.00 0.00 H new ATOM 0 HB ILE A 7 10.283 6.518 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.127 4.426 6.869 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.879 5.559 5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.804 4.103 6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.907 4.913 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.353 3.948 5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.571 5.994 8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.635 7.366 7.429 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.872 6.215 8.552 1.00 0.00 H new ATOM 109 N GLN A 8 10.902 9.017 4.809 1.00 0.00 N ATOM 110 CA GLN A 8 11.478 10.340 5.013 1.00 0.00 C ATOM 111 C GLN A 8 11.350 10.771 6.471 1.00 0.00 C ATOM 112 O GLN A 8 10.258 10.759 7.037 1.00 0.00 O ATOM 113 CB GLN A 8 10.794 11.363 4.104 1.00 0.00 C ATOM 114 CG GLN A 8 9.296 11.477 4.336 1.00 0.00 C ATOM 115 CD GLN A 8 8.628 12.438 3.372 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.296 13.127 2.601 1.00 0.00 O ATOM 117 NE2 GLN A 8 7.301 12.488 3.411 1.00 0.00 N ATOM 0 H GLN A 8 9.907 9.020 4.586 1.00 0.00 H new ATOM 0 HA GLN A 8 12.537 10.290 4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.253 12.339 4.260 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.972 11.089 3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.840 10.492 4.235 1.00 0.00 H new ATOM 0 HG3 GLN A 8 9.115 11.809 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.787 11.899 4.066 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.796 13.116 2.786 1.00 0.00 H new ATOM 126 N MET A 9 12.473 11.151 7.071 1.00 0.00 N ATOM 127 CA MET A 9 12.485 11.587 8.463 1.00 0.00 C ATOM 128 C MET A 9 12.737 13.088 8.561 1.00 0.00 C ATOM 129 O MET A 9 13.302 13.691 7.649 1.00 0.00 O ATOM 130 CB MET A 9 13.555 10.826 9.248 1.00 0.00 C ATOM 131 CG MET A 9 13.026 9.588 9.954 1.00 0.00 C ATOM 132 SD MET A 9 14.236 8.254 10.018 1.00 0.00 S ATOM 133 CE MET A 9 13.602 7.287 11.386 1.00 0.00 C ATOM 0 H MET A 9 13.386 11.166 6.616 1.00 0.00 H new ATOM 0 HA MET A 9 11.507 11.372 8.893 1.00 0.00 H new ATOM 0 HB2 MET A 9 14.354 10.532 8.567 1.00 0.00 H new ATOM 0 HB3 MET A 9 13.996 11.495 9.987 1.00 0.00 H new ATOM 0 HG2 MET A 9 12.729 9.853 10.969 1.00 0.00 H new ATOM 0 HG3 MET A 9 12.131 9.237 9.441 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.246 6.423 11.550 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.582 7.901 12.287 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.592 6.948 11.155 1.00 0.00 H new ATOM 143 N GLN A 10 12.314 13.684 9.671 1.00 0.00 N ATOM 144 CA GLN A 10 12.494 15.115 9.886 1.00 0.00 C ATOM 145 C GLN A 10 13.605 15.378 10.897 1.00 0.00 C ATOM 146 O GLN A 10 13.458 15.090 12.084 1.00 0.00 O ATOM 147 CB GLN A 10 11.188 15.748 10.368 1.00 0.00 C ATOM 148 CG GLN A 10 9.996 15.435 9.479 1.00 0.00 C ATOM 149 CD GLN A 10 9.992 16.250 8.200 1.00 0.00 C ATOM 150 OE1 GLN A 10 9.594 17.415 8.193 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.438 15.639 7.108 1.00 0.00 N ATOM 0 H GLN A 10 11.844 13.198 10.435 1.00 0.00 H new ATOM 0 HA GLN A 10 12.779 15.567 8.936 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.977 15.401 11.380 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.316 16.829 10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.002 14.374 9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.076 15.627 10.031 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.758 14.672 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 10 10.460 16.137 6.218 1.00 0.00 H new ATOM 160 N GLY A 11 14.717 15.927 10.418 1.00 0.00 N ATOM 161 CA GLY A 11 15.837 16.219 11.294 1.00 0.00 C ATOM 162 C GLY A 11 16.337 17.642 11.141 1.00 0.00 C ATOM 163 O GLY A 11 15.800 18.412 10.345 1.00 0.00 O ATOM 0 H GLY A 11 14.862 16.175 9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.538 16.051 12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.651 15.526 11.081 1.00 0.00 H new ATOM 167 N GLU A 12 17.366 17.991 11.906 1.00 0.00 N ATOM 168 CA GLU A 12 17.935 19.333 11.853 1.00 0.00 C ATOM 169 C GLU A 12 19.458 19.274 11.768 1.00 0.00 C ATOM 170 O GLU A 12 20.097 18.454 12.427 1.00 0.00 O ATOM 171 CB GLU A 12 17.513 20.139 13.083 1.00 0.00 C ATOM 172 CG GLU A 12 18.231 21.473 13.212 1.00 0.00 C ATOM 173 CD GLU A 12 17.829 22.233 14.461 1.00 0.00 C ATOM 174 OE1 GLU A 12 16.805 22.947 14.416 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.537 22.114 15.482 1.00 0.00 O ATOM 0 H GLU A 12 17.822 17.364 12.569 1.00 0.00 H new ATOM 0 HA GLU A 12 17.556 19.826 10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.438 20.317 13.039 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.702 19.546 13.978 1.00 0.00 H new ATOM 0 HG2 GLU A 12 19.307 21.302 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 12 18.016 22.083 12.335 1.00 0.00 H new ATOM 182 N VAL A 13 20.033 20.150 10.950 1.00 0.00 N ATOM 183 CA VAL A 13 21.480 20.200 10.778 1.00 0.00 C ATOM 184 C VAL A 13 22.180 20.511 12.097 1.00 0.00 C ATOM 185 O VAL A 13 21.794 21.435 12.813 1.00 0.00 O ATOM 186 CB VAL A 13 21.885 21.256 9.733 1.00 0.00 C ATOM 187 CG1 VAL A 13 23.399 21.319 9.596 1.00 0.00 C ATOM 188 CG2 VAL A 13 21.232 20.956 8.392 1.00 0.00 C ATOM 0 H VAL A 13 19.519 20.835 10.396 1.00 0.00 H new ATOM 0 HA VAL A 13 21.791 19.216 10.428 1.00 0.00 H new ATOM 0 HB VAL A 13 21.534 22.231 10.072 1.00 0.00 H new ATOM 0 HG11 VAL A 13 23.666 22.071 8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.840 21.585 10.556 1.00 0.00 H new ATOM 0 HG13 VAL A 13 23.777 20.346 9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 13 21.529 21.712 7.665 1.00 0.00 H new ATOM 0 HG22 VAL A 13 21.550 19.973 8.044 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.148 20.967 8.505 1.00 0.00 H new ATOM 198 N ILE A 14 23.211 19.733 12.411 1.00 0.00 N ATOM 199 CA ILE A 14 23.965 19.927 13.643 1.00 0.00 C ATOM 200 C ILE A 14 25.414 20.300 13.347 1.00 0.00 C ATOM 201 O ILE A 14 26.051 21.014 14.120 1.00 0.00 O ATOM 202 CB ILE A 14 23.942 18.662 14.522 1.00 0.00 C ATOM 203 CG1 ILE A 14 24.540 18.961 15.898 1.00 0.00 C ATOM 204 CG2 ILE A 14 24.701 17.532 13.843 1.00 0.00 C ATOM 205 CD1 ILE A 14 23.658 19.834 16.763 1.00 0.00 C ATOM 0 H ILE A 14 23.543 18.963 11.830 1.00 0.00 H new ATOM 0 HA ILE A 14 23.485 20.743 14.182 1.00 0.00 H new ATOM 0 HB ILE A 14 22.907 18.349 14.656 1.00 0.00 H new ATOM 0 HG12 ILE A 14 24.727 18.020 16.416 1.00 0.00 H new ATOM 0 HG13 ILE A 14 25.505 19.450 15.767 1.00 0.00 H new ATOM 0 HG21 ILE A 14 24.676 16.645 14.476 1.00 0.00 H new ATOM 0 HG22 ILE A 14 24.236 17.306 12.883 1.00 0.00 H new ATOM 0 HG23 ILE A 14 25.736 17.834 13.682 1.00 0.00 H new ATOM 0 HD11 ILE A 14 24.145 20.005 17.723 1.00 0.00 H new ATOM 0 HD12 ILE A 14 23.492 20.789 16.265 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.701 19.338 16.925 1.00 0.00 H new ATOM 217 N GLU A 15 25.927 19.814 12.221 1.00 0.00 N ATOM 218 CA GLU A 15 27.300 20.098 11.822 1.00 0.00 C ATOM 219 C GLU A 15 27.458 20.001 10.307 1.00 0.00 C ATOM 220 O GLU A 15 26.666 19.348 9.630 1.00 0.00 O ATOM 221 CB GLU A 15 28.265 19.129 12.509 1.00 0.00 C ATOM 222 CG GLU A 15 29.602 19.755 12.870 1.00 0.00 C ATOM 223 CD GLU A 15 29.481 20.800 13.962 1.00 0.00 C ATOM 224 OE1 GLU A 15 29.083 20.438 15.089 1.00 0.00 O ATOM 225 OE2 GLU A 15 29.784 21.981 13.689 1.00 0.00 O ATOM 0 H GLU A 15 25.412 19.222 11.569 1.00 0.00 H new ATOM 0 HA GLU A 15 27.537 21.116 12.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.797 18.745 13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.438 18.276 11.853 1.00 0.00 H new ATOM 0 HG2 GLU A 15 30.289 18.974 13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.037 20.212 11.981 1.00 0.00 H new ATOM 232 N ASN A 16 28.488 20.658 9.783 1.00 0.00 N ATOM 233 CA ASN A 16 28.750 20.647 8.348 1.00 0.00 C ATOM 234 C ASN A 16 30.153 20.124 8.055 1.00 0.00 C ATOM 235 O ASN A 16 31.149 20.722 8.466 1.00 0.00 O ATOM 236 CB ASN A 16 28.587 22.054 7.768 1.00 0.00 C ATOM 237 CG ASN A 16 28.631 22.063 6.253 1.00 0.00 C ATOM 238 OD1 ASN A 16 29.217 21.176 5.632 1.00 0.00 O ATOM 239 ND2 ASN A 16 28.011 23.071 5.649 1.00 0.00 N ATOM 0 H ASN A 16 29.154 21.204 10.330 1.00 0.00 H new ATOM 0 HA ASN A 16 28.027 19.981 7.877 1.00 0.00 H new ATOM 0 HB2 ASN A 16 27.639 22.475 8.104 1.00 0.00 H new ATOM 0 HB3 ASN A 16 29.377 22.698 8.156 1.00 0.00 H new ATOM 0 HD21 ASN A 16 28.008 23.131 4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 16 27.538 23.784 6.204 1.00 0.00 H new ATOM 246 N LEU A 17 30.225 19.006 7.342 1.00 0.00 N ATOM 247 CA LEU A 17 31.506 18.402 6.993 1.00 0.00 C ATOM 248 C LEU A 17 31.795 18.561 5.504 1.00 0.00 C ATOM 249 O LEU A 17 30.896 18.780 4.692 1.00 0.00 O ATOM 250 CB LEU A 17 31.512 16.919 7.370 1.00 0.00 C ATOM 251 CG LEU A 17 31.846 16.599 8.828 1.00 0.00 C ATOM 252 CD1 LEU A 17 31.654 15.116 9.105 1.00 0.00 C ATOM 253 CD2 LEU A 17 33.269 17.025 9.155 1.00 0.00 C ATOM 0 H LEU A 17 29.411 18.499 6.994 1.00 0.00 H new ATOM 0 HA LEU A 17 32.287 18.916 7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 17 30.530 16.503 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 17 32.231 16.405 6.732 1.00 0.00 H new ATOM 0 HG LEU A 17 31.165 17.159 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 17 31.896 14.906 10.147 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.617 14.841 8.911 1.00 0.00 H new ATOM 0 HD13 LEU A 17 32.311 14.537 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 17 33.489 16.790 10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 17 33.966 16.493 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 17 33.373 18.098 8.996 1.00 0.00 H new ATOM 265 N PRO A 18 33.079 18.446 5.135 1.00 0.00 N ATOM 266 CA PRO A 18 33.517 18.571 3.741 1.00 0.00 C ATOM 267 C PRO A 18 33.063 17.394 2.884 1.00 0.00 C ATOM 268 O PRO A 18 32.240 16.585 3.309 1.00 0.00 O ATOM 269 CB PRO A 18 35.043 18.596 3.850 1.00 0.00 C ATOM 270 CG PRO A 18 35.345 17.879 5.120 1.00 0.00 C ATOM 271 CD PRO A 18 34.203 18.185 6.049 1.00 0.00 C ATOM 0 HA PRO A 18 33.096 19.453 3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 18 35.509 18.103 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 18 35.421 19.618 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 18 35.434 16.806 4.951 1.00 0.00 H new ATOM 0 HG3 PRO A 18 36.292 18.215 5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 18 33.993 17.349 6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 18 34.418 19.049 6.679 1.00 0.00 H new ATOM 279 N ASN A 19 33.606 17.306 1.674 1.00 0.00 N ATOM 280 CA ASN A 19 33.257 16.227 0.756 1.00 0.00 C ATOM 281 C ASN A 19 31.791 16.319 0.342 1.00 0.00 C ATOM 282 O ASN A 19 31.176 15.319 -0.026 1.00 0.00 O ATOM 283 CB ASN A 19 33.531 14.869 1.405 1.00 0.00 C ATOM 284 CG ASN A 19 34.800 14.870 2.235 1.00 0.00 C ATOM 285 OD1 ASN A 19 35.865 15.266 1.760 1.00 0.00 O ATOM 286 ND2 ASN A 19 34.692 14.426 3.481 1.00 0.00 N ATOM 0 H ASN A 19 34.289 17.968 1.306 1.00 0.00 H new ATOM 0 HA ASN A 19 33.875 16.327 -0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 19 32.687 14.595 2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 19 33.608 14.108 0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 19 35.512 14.403 4.087 1.00 0.00 H new ATOM 0 HD22 ASN A 19 33.789 14.108 3.832 1.00 0.00 H new ATOM 293 N ALA A 20 31.239 17.527 0.404 1.00 0.00 N ATOM 294 CA ALA A 20 29.847 17.750 0.033 1.00 0.00 C ATOM 295 C ALA A 20 28.914 16.842 0.828 1.00 0.00 C ATOM 296 O ALA A 20 28.185 16.030 0.257 1.00 0.00 O ATOM 297 CB ALA A 20 29.657 17.528 -1.460 1.00 0.00 C ATOM 0 H ALA A 20 31.734 18.365 0.707 1.00 0.00 H new ATOM 0 HA ALA A 20 29.595 18.783 0.271 1.00 0.00 H new ATOM 0 HB1 ALA A 20 28.613 17.698 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 20 30.289 18.222 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 20 29.933 16.505 -1.714 1.00 0.00 H new ATOM 303 N THR A 21 28.943 16.984 2.150 1.00 0.00 N ATOM 304 CA THR A 21 28.102 16.175 3.023 1.00 0.00 C ATOM 305 C THR A 21 27.745 16.932 4.297 1.00 0.00 C ATOM 306 O THR A 21 28.581 17.631 4.871 1.00 0.00 O ATOM 307 CB THR A 21 28.793 14.852 3.402 1.00 0.00 C ATOM 308 OG1 THR A 21 30.211 14.979 3.248 1.00 0.00 O ATOM 309 CG2 THR A 21 28.284 13.709 2.538 1.00 0.00 C ATOM 0 H THR A 21 29.540 17.651 2.639 1.00 0.00 H new ATOM 0 HA THR A 21 27.191 15.953 2.467 1.00 0.00 H new ATOM 0 HB THR A 21 28.559 14.630 4.443 1.00 0.00 H new ATOM 0 HG1 THR A 21 30.495 15.867 3.551 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.786 12.785 2.824 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.209 13.596 2.680 1.00 0.00 H new ATOM 0 HG23 THR A 21 28.491 13.925 1.490 1.00 0.00 H new ATOM 317 N PHE A 22 26.499 16.788 4.736 1.00 0.00 N ATOM 318 CA PHE A 22 26.031 17.459 5.943 1.00 0.00 C ATOM 319 C PHE A 22 25.446 16.455 6.932 1.00 0.00 C ATOM 320 O PHE A 22 24.991 15.379 6.544 1.00 0.00 O ATOM 321 CB PHE A 22 24.981 18.516 5.591 1.00 0.00 C ATOM 322 CG PHE A 22 25.431 19.476 4.527 1.00 0.00 C ATOM 323 CD1 PHE A 22 26.706 20.019 4.560 1.00 0.00 C ATOM 324 CD2 PHE A 22 24.580 19.836 3.495 1.00 0.00 C ATOM 325 CE1 PHE A 22 27.121 20.904 3.583 1.00 0.00 C ATOM 326 CE2 PHE A 22 24.990 20.720 2.515 1.00 0.00 C ATOM 327 CZ PHE A 22 26.263 21.254 2.558 1.00 0.00 C ATOM 0 H PHE A 22 25.795 16.212 4.274 1.00 0.00 H new ATOM 0 HA PHE A 22 26.886 17.948 6.411 1.00 0.00 H new ATOM 0 HB2 PHE A 22 24.072 18.016 5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 22 24.725 19.076 6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 22 27.382 19.748 5.357 1.00 0.00 H new ATOM 0 HD2 PHE A 22 23.584 19.421 3.456 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.116 21.322 3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.316 20.993 1.717 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.587 21.943 1.792 1.00 0.00 H new ATOM 337 N ARG A 23 25.462 16.815 8.211 1.00 0.00 N ATOM 338 CA ARG A 23 24.935 15.945 9.256 1.00 0.00 C ATOM 339 C ARG A 23 23.729 16.584 9.938 1.00 0.00 C ATOM 340 O ARG A 23 23.753 17.764 10.288 1.00 0.00 O ATOM 341 CB ARG A 23 26.020 15.643 10.292 1.00 0.00 C ATOM 342 CG ARG A 23 27.095 14.693 9.789 1.00 0.00 C ATOM 343 CD ARG A 23 28.001 14.230 10.919 1.00 0.00 C ATOM 344 NE ARG A 23 28.524 12.886 10.685 1.00 0.00 N ATOM 345 CZ ARG A 23 29.290 12.234 11.552 1.00 0.00 C ATOM 346 NH1 ARG A 23 29.621 12.800 12.705 1.00 0.00 N ATOM 347 NH2 ARG A 23 29.727 11.014 11.267 1.00 0.00 N ATOM 0 H ARG A 23 25.834 17.703 8.549 1.00 0.00 H new ATOM 0 HA ARG A 23 24.616 15.012 8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.488 16.578 10.599 1.00 0.00 H new ATOM 0 HB3 ARG A 23 25.554 15.214 11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 23 26.627 13.828 9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 23 27.691 15.189 9.023 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.831 14.928 11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 23 27.447 14.245 11.857 1.00 0.00 H new ATOM 0 HE ARG A 23 28.288 12.423 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 23 29.287 13.738 12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 23 30.209 12.297 13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 23 29.475 10.576 10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 23 30.315 10.514 11.934 1.00 0.00 H new ATOM 361 N VAL A 24 22.675 15.796 10.124 1.00 0.00 N ATOM 362 CA VAL A 24 21.459 16.284 10.764 1.00 0.00 C ATOM 363 C VAL A 24 20.930 15.276 11.779 1.00 0.00 C ATOM 364 O VAL A 24 20.946 14.069 11.538 1.00 0.00 O ATOM 365 CB VAL A 24 20.358 16.578 9.728 1.00 0.00 C ATOM 366 CG1 VAL A 24 20.861 17.557 8.678 1.00 0.00 C ATOM 367 CG2 VAL A 24 19.879 15.288 9.079 1.00 0.00 C ATOM 0 H VAL A 24 22.639 14.817 9.841 1.00 0.00 H new ATOM 0 HA VAL A 24 21.721 17.209 11.277 1.00 0.00 H new ATOM 0 HB VAL A 24 19.512 17.035 10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 24 20.070 17.753 7.954 1.00 0.00 H new ATOM 0 HG12 VAL A 24 21.151 18.491 9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 24 21.723 17.130 8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 24 19.101 15.515 8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 24 20.715 14.800 8.578 1.00 0.00 H new ATOM 0 HG23 VAL A 24 19.477 14.623 9.844 1.00 0.00 H new ATOM 377 N LYS A 25 20.461 15.780 12.915 1.00 0.00 N ATOM 378 CA LYS A 25 19.925 14.926 13.968 1.00 0.00 C ATOM 379 C LYS A 25 18.413 14.778 13.831 1.00 0.00 C ATOM 380 O LYS A 25 17.684 15.770 13.779 1.00 0.00 O ATOM 381 CB LYS A 25 20.270 15.499 15.344 1.00 0.00 C ATOM 382 CG LYS A 25 19.673 16.873 15.597 1.00 0.00 C ATOM 383 CD LYS A 25 20.558 17.706 16.509 1.00 0.00 C ATOM 384 CE LYS A 25 20.421 17.278 17.962 1.00 0.00 C ATOM 385 NZ LYS A 25 21.600 17.687 18.775 1.00 0.00 N ATOM 0 H LYS A 25 20.441 16.777 13.130 1.00 0.00 H new ATOM 0 HA LYS A 25 20.380 13.940 13.868 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.918 14.812 16.113 1.00 0.00 H new ATOM 0 HB3 LYS A 25 21.354 15.559 15.442 1.00 0.00 H new ATOM 0 HG2 LYS A 25 19.536 17.392 14.648 1.00 0.00 H new ATOM 0 HG3 LYS A 25 18.686 16.765 16.046 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.598 17.609 16.197 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.293 18.759 16.412 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.518 17.717 18.386 1.00 0.00 H new ATOM 0 HE3 LYS A 25 20.303 16.196 18.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 21.468 17.377 19.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.459 17.248 18.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 21.698 18.722 18.749 1.00 0.00 H new ATOM 399 N LEU A 26 17.947 13.535 13.775 1.00 0.00 N ATOM 400 CA LEU A 26 16.521 13.258 13.646 1.00 0.00 C ATOM 401 C LEU A 26 15.820 13.372 14.996 1.00 0.00 C ATOM 402 O LEU A 26 16.232 14.149 15.856 1.00 0.00 O ATOM 403 CB LEU A 26 16.304 11.860 13.062 1.00 0.00 C ATOM 404 CG LEU A 26 17.229 11.463 11.911 1.00 0.00 C ATOM 405 CD1 LEU A 26 16.769 10.156 11.284 1.00 0.00 C ATOM 406 CD2 LEU A 26 17.285 12.567 10.866 1.00 0.00 C ATOM 0 H LEU A 26 18.536 12.703 13.817 1.00 0.00 H new ATOM 0 HA LEU A 26 16.092 13.998 12.971 1.00 0.00 H new ATOM 0 HB2 LEU A 26 16.421 11.131 13.864 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.273 11.789 12.714 1.00 0.00 H new ATOM 0 HG LEU A 26 18.233 11.318 12.310 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.439 9.889 10.467 1.00 0.00 H new ATOM 0 HD12 LEU A 26 16.782 9.367 12.036 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.756 10.274 10.899 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.948 12.267 10.055 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.285 12.745 10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.662 13.482 11.323 1.00 0.00 H new ATOM 418 N GLU A 27 14.759 12.590 15.174 1.00 0.00 N ATOM 419 CA GLU A 27 14.002 12.603 16.420 1.00 0.00 C ATOM 420 C GLU A 27 14.674 11.727 17.474 1.00 0.00 C ATOM 421 O GLU A 27 14.704 12.072 18.655 1.00 0.00 O ATOM 422 CB GLU A 27 12.570 12.122 16.178 1.00 0.00 C ATOM 423 CG GLU A 27 11.872 12.839 15.035 1.00 0.00 C ATOM 424 CD GLU A 27 12.036 12.121 13.709 1.00 0.00 C ATOM 425 OE1 GLU A 27 11.195 11.253 13.396 1.00 0.00 O ATOM 426 OE2 GLU A 27 13.005 12.429 12.984 1.00 0.00 O ATOM 0 H GLU A 27 14.405 11.940 14.472 1.00 0.00 H new ATOM 0 HA GLU A 27 13.975 13.629 16.788 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.585 11.052 15.969 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.990 12.260 17.091 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.811 12.933 15.264 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.270 13.850 14.948 1.00 0.00 H new ATOM 433 N ASN A 28 15.210 10.593 17.037 1.00 0.00 N ATOM 434 CA ASN A 28 15.880 9.666 17.942 1.00 0.00 C ATOM 435 C ASN A 28 17.105 10.317 18.579 1.00 0.00 C ATOM 436 O ASN A 28 17.627 9.833 19.582 1.00 0.00 O ATOM 437 CB ASN A 28 16.294 8.398 17.193 1.00 0.00 C ATOM 438 CG ASN A 28 15.202 7.346 17.188 1.00 0.00 C ATOM 439 OD1 ASN A 28 14.144 7.537 16.588 1.00 0.00 O ATOM 440 ND2 ASN A 28 15.454 6.229 17.860 1.00 0.00 N ATOM 0 H ASN A 28 15.194 10.293 16.062 1.00 0.00 H new ATOM 0 HA ASN A 28 15.179 9.400 18.733 1.00 0.00 H new ATOM 0 HB2 ASN A 28 16.552 8.654 16.166 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.191 7.984 17.653 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.756 5.486 17.894 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.345 6.114 18.343 1.00 0.00 H new ATOM 447 N GLY A 29 17.557 11.418 17.988 1.00 0.00 N ATOM 448 CA GLY A 29 18.716 12.118 18.511 1.00 0.00 C ATOM 449 C GLY A 29 19.975 11.829 17.717 1.00 0.00 C ATOM 450 O GLY A 29 20.923 12.614 17.735 1.00 0.00 O ATOM 0 H GLY A 29 17.142 11.838 17.156 1.00 0.00 H new ATOM 0 HA2 GLY A 29 18.523 13.191 18.503 1.00 0.00 H new ATOM 0 HA3 GLY A 29 18.872 11.830 19.551 1.00 0.00 H new ATOM 454 N HIS A 30 19.986 10.697 17.020 1.00 0.00 N ATOM 455 CA HIS A 30 21.139 10.305 16.217 1.00 0.00 C ATOM 456 C HIS A 30 21.285 11.211 14.998 1.00 0.00 C ATOM 457 O HIS A 30 20.295 11.687 14.444 1.00 0.00 O ATOM 458 CB HIS A 30 21.006 8.848 15.772 1.00 0.00 C ATOM 459 CG HIS A 30 19.873 8.614 14.820 1.00 0.00 C ATOM 460 ND1 HIS A 30 19.906 7.650 13.835 1.00 0.00 N ATOM 461 CD2 HIS A 30 18.670 9.224 14.709 1.00 0.00 C ATOM 462 CE1 HIS A 30 18.772 7.679 13.157 1.00 0.00 C ATOM 463 NE2 HIS A 30 18.005 8.625 13.667 1.00 0.00 N ATOM 0 H HIS A 30 19.210 10.035 16.995 1.00 0.00 H new ATOM 0 HA HIS A 30 22.032 10.408 16.833 1.00 0.00 H new ATOM 0 HB2 HIS A 30 21.937 8.534 15.300 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.867 8.219 16.651 1.00 0.00 H new ATOM 0 HD1 HIS A 30 20.684 7.014 13.657 1.00 0.00 H new ATOM 0 HD2 HIS A 30 18.302 10.031 15.325 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.516 7.038 12.327 1.00 0.00 H new ATOM 471 N VAL A 31 22.527 11.444 14.585 1.00 0.00 N ATOM 472 CA VAL A 31 22.803 12.292 13.432 1.00 0.00 C ATOM 473 C VAL A 31 23.094 11.454 12.191 1.00 0.00 C ATOM 474 O VAL A 31 23.851 10.486 12.247 1.00 0.00 O ATOM 475 CB VAL A 31 23.996 13.229 13.696 1.00 0.00 C ATOM 476 CG1 VAL A 31 23.728 14.105 14.910 1.00 0.00 C ATOM 477 CG2 VAL A 31 25.274 12.425 13.881 1.00 0.00 C ATOM 0 H VAL A 31 23.358 11.057 15.032 1.00 0.00 H new ATOM 0 HA VAL A 31 21.910 12.893 13.261 1.00 0.00 H new ATOM 0 HB VAL A 31 24.124 13.878 12.830 1.00 0.00 H new ATOM 0 HG11 VAL A 31 24.582 14.761 15.081 1.00 0.00 H new ATOM 0 HG12 VAL A 31 22.837 14.708 14.734 1.00 0.00 H new ATOM 0 HG13 VAL A 31 23.573 13.475 15.786 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.107 13.103 14.067 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.160 11.750 14.729 1.00 0.00 H new ATOM 0 HG23 VAL A 31 25.472 11.845 12.980 1.00 0.00 H new ATOM 487 N VAL A 32 22.487 11.835 11.071 1.00 0.00 N ATOM 488 CA VAL A 32 22.682 11.120 9.816 1.00 0.00 C ATOM 489 C VAL A 32 23.494 11.953 8.830 1.00 0.00 C ATOM 490 O VAL A 32 23.311 13.167 8.727 1.00 0.00 O ATOM 491 CB VAL A 32 21.336 10.746 9.168 1.00 0.00 C ATOM 492 CG1 VAL A 32 20.477 9.953 10.141 1.00 0.00 C ATOM 493 CG2 VAL A 32 20.606 11.995 8.697 1.00 0.00 C ATOM 0 H VAL A 32 21.857 12.634 11.008 1.00 0.00 H new ATOM 0 HA VAL A 32 23.229 10.207 10.053 1.00 0.00 H new ATOM 0 HB VAL A 32 21.533 10.118 8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 32 19.530 9.698 9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 32 20.998 9.039 10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 32 20.286 10.553 11.031 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.657 11.712 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.419 12.650 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 32 21.218 12.519 7.963 1.00 0.00 H new ATOM 503 N LEU A 33 24.392 11.293 8.106 1.00 0.00 N ATOM 504 CA LEU A 33 25.233 11.973 7.127 1.00 0.00 C ATOM 505 C LEU A 33 24.747 11.696 5.707 1.00 0.00 C ATOM 506 O LEU A 33 24.438 10.559 5.356 1.00 0.00 O ATOM 507 CB LEU A 33 26.688 11.524 7.276 1.00 0.00 C ATOM 508 CG LEU A 33 27.690 12.164 6.315 1.00 0.00 C ATOM 509 CD1 LEU A 33 28.307 13.407 6.937 1.00 0.00 C ATOM 510 CD2 LEU A 33 28.771 11.166 5.928 1.00 0.00 C ATOM 0 H LEU A 33 24.556 10.289 8.178 1.00 0.00 H new ATOM 0 HA LEU A 33 25.169 13.045 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 33 27.009 11.733 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 33 26.729 10.443 7.145 1.00 0.00 H new ATOM 0 HG LEU A 33 27.158 12.461 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 33 29.018 13.849 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 33 27.522 14.129 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 33 28.824 13.135 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 33 29.475 11.639 5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 33 29.300 10.837 6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 33 28.314 10.305 5.440 1.00 0.00 H new ATOM 522 N GLY A 34 24.685 12.746 4.894 1.00 0.00 N ATOM 523 CA GLY A 34 24.238 12.596 3.521 1.00 0.00 C ATOM 524 C GLY A 34 24.644 13.766 2.648 1.00 0.00 C ATOM 525 O GLY A 34 25.398 14.639 3.078 1.00 0.00 O ATOM 0 H GLY A 34 24.936 13.698 5.161 1.00 0.00 H new ATOM 0 HA2 GLY A 34 24.651 11.677 3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.153 12.494 3.505 1.00 0.00 H new ATOM 529 N HIS A 35 24.143 13.786 1.417 1.00 0.00 N ATOM 530 CA HIS A 35 24.458 14.858 0.479 1.00 0.00 C ATOM 531 C HIS A 35 23.183 15.503 -0.057 1.00 0.00 C ATOM 532 O HIS A 35 22.163 14.835 -0.228 1.00 0.00 O ATOM 533 CB HIS A 35 25.298 14.321 -0.680 1.00 0.00 C ATOM 534 CG HIS A 35 24.586 13.299 -1.512 1.00 0.00 C ATOM 535 ND1 HIS A 35 24.064 13.575 -2.758 1.00 0.00 N ATOM 536 CD2 HIS A 35 24.312 11.996 -1.271 1.00 0.00 C ATOM 537 CE1 HIS A 35 23.499 12.486 -3.247 1.00 0.00 C ATOM 538 NE2 HIS A 35 23.636 11.513 -2.364 1.00 0.00 N ATOM 0 H HIS A 35 23.517 13.072 1.045 1.00 0.00 H new ATOM 0 HA HIS A 35 25.032 15.616 1.012 1.00 0.00 H new ATOM 0 HB2 HIS A 35 25.596 15.153 -1.318 1.00 0.00 H new ATOM 0 HB3 HIS A 35 26.212 13.881 -0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 35 24.576 11.439 -0.384 1.00 0.00 H new ATOM 0 HE1 HIS A 35 23.008 12.405 -4.206 1.00 0.00 H new ATOM 0 HE2 HIS A 35 23.295 10.558 -2.476 1.00 0.00 H new ATOM 546 N ILE A 36 23.250 16.804 -0.319 1.00 0.00 N ATOM 547 CA ILE A 36 22.102 17.538 -0.836 1.00 0.00 C ATOM 548 C ILE A 36 22.020 17.433 -2.355 1.00 0.00 C ATOM 549 O ILE A 36 23.030 17.548 -3.050 1.00 0.00 O ATOM 550 CB ILE A 36 22.158 19.025 -0.437 1.00 0.00 C ATOM 551 CG1 ILE A 36 21.017 19.797 -1.101 1.00 0.00 C ATOM 552 CG2 ILE A 36 23.503 19.625 -0.819 1.00 0.00 C ATOM 553 CD1 ILE A 36 19.650 19.207 -0.831 1.00 0.00 C ATOM 0 H ILE A 36 24.087 17.371 -0.182 1.00 0.00 H new ATOM 0 HA ILE A 36 21.214 17.085 -0.395 1.00 0.00 H new ATOM 0 HB ILE A 36 22.042 19.101 0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 36 21.034 20.829 -0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 36 21.186 19.824 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 36 23.528 20.676 -0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 36 24.300 19.089 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 36 23.646 19.541 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 36 18.890 19.806 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 36 19.614 18.185 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE A 36 19.460 19.205 0.242 1.00 0.00 H new ATOM 565 N SER A 37 20.812 17.217 -2.864 1.00 0.00 N ATOM 566 CA SER A 37 20.598 17.095 -4.301 1.00 0.00 C ATOM 567 C SER A 37 19.321 17.814 -4.724 1.00 0.00 C ATOM 568 O SER A 37 18.393 17.973 -3.931 1.00 0.00 O ATOM 569 CB SER A 37 20.524 15.620 -4.703 1.00 0.00 C ATOM 570 OG SER A 37 19.843 14.858 -3.722 1.00 0.00 O ATOM 0 H SER A 37 19.966 17.123 -2.302 1.00 0.00 H new ATOM 0 HA SER A 37 21.442 17.562 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.012 15.526 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.531 15.226 -4.840 1.00 0.00 H new ATOM 0 HG SER A 37 19.808 13.920 -4.003 1.00 0.00 H new ATOM 576 N GLY A 38 19.280 18.246 -5.980 1.00 0.00 N ATOM 577 CA GLY A 38 18.113 18.944 -6.488 1.00 0.00 C ATOM 578 C GLY A 38 18.479 20.148 -7.333 1.00 0.00 C ATOM 579 O GLY A 38 19.658 20.450 -7.520 1.00 0.00 O ATOM 0 H GLY A 38 20.034 18.125 -6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 38 17.512 18.256 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 38 17.493 19.266 -5.651 1.00 0.00 H new ATOM 583 N LYS A 39 17.467 20.838 -7.847 1.00 0.00 N ATOM 584 CA LYS A 39 17.687 22.016 -8.678 1.00 0.00 C ATOM 585 C LYS A 39 17.703 23.284 -7.830 1.00 0.00 C ATOM 586 O LYS A 39 18.230 24.314 -8.248 1.00 0.00 O ATOM 587 CB LYS A 39 16.599 22.120 -9.749 1.00 0.00 C ATOM 588 CG LYS A 39 15.230 22.475 -9.194 1.00 0.00 C ATOM 589 CD LYS A 39 14.191 22.579 -10.298 1.00 0.00 C ATOM 590 CE LYS A 39 13.490 21.249 -10.531 1.00 0.00 C ATOM 591 NZ LYS A 39 12.738 20.800 -9.327 1.00 0.00 N ATOM 0 H LYS A 39 16.485 20.602 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 39 18.657 21.912 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.892 22.873 -10.480 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.531 21.170 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.921 21.718 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.288 23.422 -8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.455 23.339 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.671 22.905 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.805 21.342 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.227 20.493 -10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.739 20.656 -9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.141 19.906 -8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.809 21.524 -8.584 1.00 0.00 H new ATOM 605 N MET A 40 17.124 23.200 -6.637 1.00 0.00 N ATOM 606 CA MET A 40 17.075 24.341 -5.730 1.00 0.00 C ATOM 607 C MET A 40 18.362 24.447 -4.919 1.00 0.00 C ATOM 608 O MET A 40 18.676 25.503 -4.371 1.00 0.00 O ATOM 609 CB MET A 40 15.874 24.221 -4.789 1.00 0.00 C ATOM 610 CG MET A 40 15.502 25.528 -4.109 1.00 0.00 C ATOM 611 SD MET A 40 14.229 26.439 -5.004 1.00 0.00 S ATOM 612 CE MET A 40 12.926 26.494 -3.777 1.00 0.00 C ATOM 0 H MET A 40 16.682 22.354 -6.276 1.00 0.00 H new ATOM 0 HA MET A 40 16.969 25.245 -6.330 1.00 0.00 H new ATOM 0 HB2 MET A 40 15.015 23.857 -5.354 1.00 0.00 H new ATOM 0 HB3 MET A 40 16.094 23.474 -4.026 1.00 0.00 H new ATOM 0 HG2 MET A 40 15.152 25.320 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 40 16.392 26.151 -4.016 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.067 27.028 -4.183 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.631 25.478 -3.514 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.286 27.010 -2.887 1.00 0.00 H new ATOM 622 N ARG A 41 19.103 23.346 -4.847 1.00 0.00 N ATOM 623 CA ARG A 41 20.356 23.315 -4.102 1.00 0.00 C ATOM 624 C ARG A 41 21.486 23.944 -4.912 1.00 0.00 C ATOM 625 O ARG A 41 22.532 24.295 -4.367 1.00 0.00 O ATOM 626 CB ARG A 41 20.719 21.876 -3.732 1.00 0.00 C ATOM 627 CG ARG A 41 21.000 20.990 -4.935 1.00 0.00 C ATOM 628 CD ARG A 41 22.202 20.090 -4.695 1.00 0.00 C ATOM 629 NE ARG A 41 22.637 19.420 -5.918 1.00 0.00 N ATOM 630 CZ ARG A 41 23.816 18.823 -6.049 1.00 0.00 C ATOM 631 NH1 ARG A 41 24.674 18.812 -5.038 1.00 0.00 N ATOM 632 NH2 ARG A 41 24.139 18.234 -7.194 1.00 0.00 N ATOM 0 H ARG A 41 18.857 22.464 -5.296 1.00 0.00 H new ATOM 0 HA ARG A 41 20.221 23.894 -3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 41 21.597 21.886 -3.086 1.00 0.00 H new ATOM 0 HB3 ARG A 41 19.903 21.442 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 41 20.124 20.379 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 41 21.179 21.612 -5.812 1.00 0.00 H new ATOM 0 HD2 ARG A 41 23.024 20.683 -4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 41 21.951 19.343 -3.942 1.00 0.00 H new ATOM 0 HE ARG A 41 22.000 19.410 -6.715 1.00 0.00 H new ATOM 0 HH11 ARG A 41 24.429 19.263 -4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 41 25.579 18.353 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 41 23.481 18.240 -7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 41 25.045 17.776 -7.294 1.00 0.00 H new ATOM 646 N MET A 42 21.267 24.082 -6.215 1.00 0.00 N ATOM 647 CA MET A 42 22.267 24.669 -7.100 1.00 0.00 C ATOM 648 C MET A 42 22.242 26.191 -7.013 1.00 0.00 C ATOM 649 O MET A 42 23.035 26.873 -7.664 1.00 0.00 O ATOM 650 CB MET A 42 22.025 24.225 -8.544 1.00 0.00 C ATOM 651 CG MET A 42 23.303 23.924 -9.310 1.00 0.00 C ATOM 652 SD MET A 42 23.917 22.256 -9.010 1.00 0.00 S ATOM 653 CE MET A 42 22.794 21.295 -10.022 1.00 0.00 C ATOM 0 H MET A 42 20.406 23.796 -6.682 1.00 0.00 H new ATOM 0 HA MET A 42 23.249 24.320 -6.780 1.00 0.00 H new ATOM 0 HB2 MET A 42 21.395 23.336 -8.541 1.00 0.00 H new ATOM 0 HB3 MET A 42 21.473 25.005 -9.068 1.00 0.00 H new ATOM 0 HG2 MET A 42 23.121 24.054 -10.377 1.00 0.00 H new ATOM 0 HG3 MET A 42 24.070 24.645 -9.027 1.00 0.00 H new ATOM 0 HE1 MET A 42 23.178 20.280 -10.129 1.00 0.00 H new ATOM 0 HE2 MET A 42 21.813 21.264 -9.548 1.00 0.00 H new ATOM 0 HE3 MET A 42 22.707 21.755 -11.006 1.00 0.00 H new ATOM 663 N HIS A 43 21.328 26.719 -6.206 1.00 0.00 N ATOM 664 CA HIS A 43 21.201 28.162 -6.034 1.00 0.00 C ATOM 665 C HIS A 43 22.173 28.671 -4.974 1.00 0.00 C ATOM 666 O HIS A 43 22.176 29.855 -4.637 1.00 0.00 O ATOM 667 CB HIS A 43 19.768 28.527 -5.646 1.00 0.00 C ATOM 668 CG HIS A 43 18.825 28.571 -6.809 1.00 0.00 C ATOM 669 ND1 HIS A 43 19.042 29.352 -7.924 1.00 0.00 N ATOM 670 CD2 HIS A 43 17.656 27.924 -7.026 1.00 0.00 C ATOM 671 CE1 HIS A 43 18.047 29.184 -8.777 1.00 0.00 C ATOM 672 NE2 HIS A 43 17.193 28.322 -8.256 1.00 0.00 N ATOM 0 H HIS A 43 20.664 26.169 -5.661 1.00 0.00 H new ATOM 0 HA HIS A 43 21.445 28.638 -6.984 1.00 0.00 H new ATOM 0 HB2 HIS A 43 19.401 27.802 -4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 43 19.770 29.499 -5.154 1.00 0.00 H new ATOM 0 HD2 HIS A 43 17.177 27.225 -6.357 1.00 0.00 H new ATOM 0 HE1 HIS A 43 17.949 29.669 -9.737 1.00 0.00 H new ATOM 0 HE2 HIS A 43 16.330 28.003 -8.696 1.00 0.00 H new ATOM 680 N TYR A 44 22.996 27.768 -4.452 1.00 0.00 N ATOM 681 CA TYR A 44 23.970 28.125 -3.427 1.00 0.00 C ATOM 682 C TYR A 44 23.301 28.866 -2.274 1.00 0.00 C ATOM 683 O TYR A 44 23.691 29.982 -1.930 1.00 0.00 O ATOM 684 CB TYR A 44 25.080 28.989 -4.028 1.00 0.00 C ATOM 685 CG TYR A 44 25.627 28.452 -5.331 1.00 0.00 C ATOM 686 CD1 TYR A 44 26.298 27.236 -5.378 1.00 0.00 C ATOM 687 CD2 TYR A 44 25.472 29.160 -6.517 1.00 0.00 C ATOM 688 CE1 TYR A 44 26.800 26.742 -6.566 1.00 0.00 C ATOM 689 CE2 TYR A 44 25.969 28.673 -7.710 1.00 0.00 C ATOM 690 CZ TYR A 44 26.633 27.464 -7.730 1.00 0.00 C ATOM 691 OH TYR A 44 27.130 26.975 -8.916 1.00 0.00 O ATOM 0 H TYR A 44 23.008 26.784 -4.721 1.00 0.00 H new ATOM 0 HA TYR A 44 24.405 27.204 -3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 44 24.696 29.996 -4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 44 25.894 29.072 -3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 44 26.429 26.667 -4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 44 24.954 30.108 -6.505 1.00 0.00 H new ATOM 0 HE1 TYR A 44 27.320 25.796 -6.584 1.00 0.00 H new ATOM 0 HE2 TYR A 44 25.838 29.236 -8.623 1.00 0.00 H new ATOM 0 HH TYR A 44 26.927 27.604 -9.640 1.00 0.00 H new ATOM 701 N ILE A 45 22.293 28.237 -1.680 1.00 0.00 N ATOM 702 CA ILE A 45 21.570 28.835 -0.565 1.00 0.00 C ATOM 703 C ILE A 45 22.440 28.890 0.687 1.00 0.00 C ATOM 704 O ILE A 45 23.579 28.423 0.685 1.00 0.00 O ATOM 705 CB ILE A 45 20.280 28.056 -0.246 1.00 0.00 C ATOM 706 CG1 ILE A 45 20.596 26.839 0.625 1.00 0.00 C ATOM 707 CG2 ILE A 45 19.589 27.629 -1.533 1.00 0.00 C ATOM 708 CD1 ILE A 45 21.659 25.936 0.040 1.00 0.00 C ATOM 0 H ILE A 45 21.958 27.313 -1.952 1.00 0.00 H new ATOM 0 HA ILE A 45 21.306 29.848 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 45 19.605 28.709 0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 45 20.922 27.180 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 45 19.683 26.262 0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 45 18.679 27.080 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 45 19.335 28.512 -2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 45 20.257 26.989 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 45 21.831 25.095 0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 45 21.328 25.565 -0.930 1.00 0.00 H new ATOM 0 HD13 ILE A 45 22.585 26.497 -0.083 1.00 0.00 H new ATOM 720 N ARG A 46 21.894 29.462 1.755 1.00 0.00 N ATOM 721 CA ARG A 46 22.619 29.577 3.015 1.00 0.00 C ATOM 722 C ARG A 46 22.310 28.396 3.930 1.00 0.00 C ATOM 723 O ARG A 46 21.149 28.125 4.239 1.00 0.00 O ATOM 724 CB ARG A 46 22.260 30.888 3.717 1.00 0.00 C ATOM 725 CG ARG A 46 20.790 30.996 4.090 1.00 0.00 C ATOM 726 CD ARG A 46 20.327 32.444 4.115 1.00 0.00 C ATOM 727 NE ARG A 46 19.276 32.666 5.104 1.00 0.00 N ATOM 728 CZ ARG A 46 18.930 33.868 5.552 1.00 0.00 C ATOM 729 NH1 ARG A 46 19.548 34.950 5.101 1.00 0.00 N ATOM 730 NH2 ARG A 46 17.963 33.988 6.453 1.00 0.00 N ATOM 0 H ARG A 46 20.952 29.853 1.773 1.00 0.00 H new ATOM 0 HA ARG A 46 23.686 29.572 2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.863 30.984 4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 46 22.524 31.722 3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.190 30.433 3.375 1.00 0.00 H new ATOM 0 HG3 ARG A 46 20.628 30.544 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.175 33.092 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 46 19.960 32.724 3.128 1.00 0.00 H new ATOM 0 HE ARG A 46 18.780 31.854 5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 46 20.291 34.861 4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.280 35.872 5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.485 33.157 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 46 17.698 34.911 6.797 1.00 0.00 H new ATOM 744 N ILE A 47 23.355 27.697 4.360 1.00 0.00 N ATOM 745 CA ILE A 47 23.195 26.547 5.240 1.00 0.00 C ATOM 746 C ILE A 47 23.917 26.763 6.565 1.00 0.00 C ATOM 747 O ILE A 47 25.109 27.073 6.592 1.00 0.00 O ATOM 748 CB ILE A 47 23.725 25.258 4.584 1.00 0.00 C ATOM 749 CG1 ILE A 47 23.095 25.067 3.202 1.00 0.00 C ATOM 750 CG2 ILE A 47 23.440 24.056 5.472 1.00 0.00 C ATOM 751 CD1 ILE A 47 23.578 23.826 2.485 1.00 0.00 C ATOM 0 H ILE A 47 24.322 27.908 4.113 1.00 0.00 H new ATOM 0 HA ILE A 47 22.126 26.438 5.425 1.00 0.00 H new ATOM 0 HB ILE A 47 24.804 25.347 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.011 25.016 3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.314 25.940 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 47 23.820 23.153 4.995 1.00 0.00 H new ATOM 0 HG22 ILE A 47 23.931 24.191 6.436 1.00 0.00 H new ATOM 0 HG23 ILE A 47 22.365 23.961 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 47 23.090 23.754 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 47 24.658 23.883 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.335 22.945 3.079 1.00 0.00 H new ATOM 763 N LEU A 48 23.189 26.597 7.664 1.00 0.00 N ATOM 764 CA LEU A 48 23.760 26.772 8.995 1.00 0.00 C ATOM 765 C LEU A 48 23.237 25.710 9.956 1.00 0.00 C ATOM 766 O LEU A 48 22.195 25.093 9.731 1.00 0.00 O ATOM 767 CB LEU A 48 23.435 28.167 9.531 1.00 0.00 C ATOM 768 CG LEU A 48 22.083 28.748 9.115 1.00 0.00 C ATOM 769 CD1 LEU A 48 20.946 27.921 9.696 1.00 0.00 C ATOM 770 CD2 LEU A 48 21.968 30.200 9.556 1.00 0.00 C ATOM 0 H LEU A 48 22.202 26.341 7.660 1.00 0.00 H new ATOM 0 HA LEU A 48 24.842 26.663 8.917 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.474 28.134 10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 48 24.218 28.851 9.204 1.00 0.00 H new ATOM 0 HG LEU A 48 22.013 28.713 8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.991 28.349 9.390 1.00 0.00 H new ATOM 0 HD12 LEU A 48 21.018 26.896 9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.013 27.924 10.784 1.00 0.00 H new ATOM 0 HD21 LEU A 48 21.000 30.597 9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 48 22.060 30.259 10.641 1.00 0.00 H new ATOM 0 HD23 LEU A 48 22.762 30.785 9.092 1.00 0.00 H new ATOM 782 N PRO A 49 23.973 25.492 11.056 1.00 0.00 N ATOM 783 CA PRO A 49 23.601 24.507 12.075 1.00 0.00 C ATOM 784 C PRO A 49 22.368 24.929 12.867 1.00 0.00 C ATOM 785 O PRO A 49 22.385 25.939 13.569 1.00 0.00 O ATOM 786 CB PRO A 49 24.830 24.458 12.987 1.00 0.00 C ATOM 787 CG PRO A 49 25.483 25.786 12.813 1.00 0.00 C ATOM 788 CD PRO A 49 25.226 26.191 11.388 1.00 0.00 C ATOM 0 HA PRO A 49 23.341 23.544 11.635 1.00 0.00 H new ATOM 0 HB2 PRO A 49 24.546 24.289 14.026 1.00 0.00 H new ATOM 0 HB3 PRO A 49 25.501 23.647 12.704 1.00 0.00 H new ATOM 0 HG2 PRO A 49 25.070 26.518 13.507 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.552 25.724 13.014 1.00 0.00 H new ATOM 0 HD2 PRO A 49 25.122 27.272 11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 49 26.041 25.888 10.731 1.00 0.00 H new ATOM 796 N GLY A 50 21.298 24.148 12.748 1.00 0.00 N ATOM 797 CA GLY A 50 20.071 24.458 13.458 1.00 0.00 C ATOM 798 C GLY A 50 18.885 24.613 12.526 1.00 0.00 C ATOM 799 O GLY A 50 17.815 25.058 12.941 1.00 0.00 O ATOM 0 H GLY A 50 21.259 23.307 12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.862 23.667 14.178 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.206 25.379 14.026 1.00 0.00 H new ATOM 803 N ASP A 51 19.076 24.248 11.263 1.00 0.00 N ATOM 804 CA ASP A 51 18.013 24.350 10.269 1.00 0.00 C ATOM 805 C ASP A 51 17.279 23.021 10.122 1.00 0.00 C ATOM 806 O ASP A 51 17.900 21.960 10.051 1.00 0.00 O ATOM 807 CB ASP A 51 18.588 24.782 8.920 1.00 0.00 C ATOM 808 CG ASP A 51 17.534 25.373 8.004 1.00 0.00 C ATOM 809 OD1 ASP A 51 17.064 26.495 8.286 1.00 0.00 O ATOM 810 OD2 ASP A 51 17.180 24.713 7.005 1.00 0.00 O ATOM 0 H ASP A 51 19.956 23.879 10.903 1.00 0.00 H new ATOM 0 HA ASP A 51 17.301 25.102 10.609 1.00 0.00 H new ATOM 0 HB2 ASP A 51 19.377 25.516 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 51 19.048 23.923 8.433 1.00 0.00 H new ATOM 815 N LYS A 52 15.952 23.086 10.076 1.00 0.00 N ATOM 816 CA LYS A 52 15.132 21.889 9.937 1.00 0.00 C ATOM 817 C LYS A 52 15.116 21.405 8.490 1.00 0.00 C ATOM 818 O LYS A 52 14.703 22.132 7.586 1.00 0.00 O ATOM 819 CB LYS A 52 13.702 22.168 10.407 1.00 0.00 C ATOM 820 CG LYS A 52 13.539 22.121 11.917 1.00 0.00 C ATOM 821 CD LYS A 52 13.861 23.463 12.554 1.00 0.00 C ATOM 822 CE LYS A 52 12.635 24.360 12.614 1.00 0.00 C ATOM 823 NZ LYS A 52 12.501 25.199 11.390 1.00 0.00 N ATOM 0 H LYS A 52 15.422 23.956 10.133 1.00 0.00 H new ATOM 0 HA LYS A 52 15.567 21.107 10.559 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.395 23.150 10.047 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.031 21.438 9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.517 21.835 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.194 21.354 12.331 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.247 23.306 13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.648 23.958 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.742 23.747 12.734 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.699 25.004 13.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.000 26.080 11.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.446 25.426 11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.963 24.677 10.669 1.00 0.00 H new ATOM 837 N VAL A 53 15.569 20.173 8.278 1.00 0.00 N ATOM 838 CA VAL A 53 15.605 19.592 6.942 1.00 0.00 C ATOM 839 C VAL A 53 15.182 18.127 6.968 1.00 0.00 C ATOM 840 O VAL A 53 15.340 17.441 7.979 1.00 0.00 O ATOM 841 CB VAL A 53 17.010 19.697 6.321 1.00 0.00 C ATOM 842 CG1 VAL A 53 17.490 21.141 6.327 1.00 0.00 C ATOM 843 CG2 VAL A 53 17.989 18.799 7.062 1.00 0.00 C ATOM 0 H VAL A 53 15.916 19.559 9.015 1.00 0.00 H new ATOM 0 HA VAL A 53 14.903 20.160 6.332 1.00 0.00 H new ATOM 0 HB VAL A 53 16.956 19.361 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 53 18.485 21.196 5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.801 21.756 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 53 17.529 21.507 7.353 1.00 0.00 H new ATOM 0 HG21 VAL A 53 18.977 18.886 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.041 19.102 8.108 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.652 17.764 7.001 1.00 0.00 H new ATOM 853 N THR A 54 14.642 17.652 5.850 1.00 0.00 N ATOM 854 CA THR A 54 14.195 16.269 5.744 1.00 0.00 C ATOM 855 C THR A 54 15.304 15.373 5.204 1.00 0.00 C ATOM 856 O THR A 54 16.109 15.796 4.374 1.00 0.00 O ATOM 857 CB THR A 54 12.960 16.146 4.832 1.00 0.00 C ATOM 858 OG1 THR A 54 11.931 17.035 5.278 1.00 0.00 O ATOM 859 CG2 THR A 54 12.435 14.718 4.822 1.00 0.00 C ATOM 0 H THR A 54 14.504 18.206 5.005 1.00 0.00 H new ATOM 0 HA THR A 54 13.928 15.945 6.750 1.00 0.00 H new ATOM 0 HB THR A 54 13.256 16.414 3.818 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.693 17.650 4.553 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.563 14.656 4.171 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.211 14.047 4.454 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.154 14.427 5.834 1.00 0.00 H new ATOM 867 N VAL A 55 15.339 14.132 5.678 1.00 0.00 N ATOM 868 CA VAL A 55 16.348 13.175 5.241 1.00 0.00 C ATOM 869 C VAL A 55 15.742 11.790 5.041 1.00 0.00 C ATOM 870 O VAL A 55 14.949 11.325 5.859 1.00 0.00 O ATOM 871 CB VAL A 55 17.504 13.076 6.253 1.00 0.00 C ATOM 872 CG1 VAL A 55 18.391 14.309 6.175 1.00 0.00 C ATOM 873 CG2 VAL A 55 16.963 12.887 7.663 1.00 0.00 C ATOM 0 H VAL A 55 14.680 13.766 6.365 1.00 0.00 H new ATOM 0 HA VAL A 55 16.738 13.539 4.290 1.00 0.00 H new ATOM 0 HB VAL A 55 18.110 12.206 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.202 14.220 6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.807 14.395 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.800 15.197 6.400 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.794 12.819 8.365 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.333 13.736 7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.375 11.971 7.707 1.00 0.00 H new ATOM 883 N GLU A 56 16.122 11.136 3.947 1.00 0.00 N ATOM 884 CA GLU A 56 15.615 9.804 3.640 1.00 0.00 C ATOM 885 C GLU A 56 16.632 8.733 4.024 1.00 0.00 C ATOM 886 O GLU A 56 17.763 8.732 3.536 1.00 0.00 O ATOM 887 CB GLU A 56 15.278 9.693 2.152 1.00 0.00 C ATOM 888 CG GLU A 56 13.892 9.131 1.882 1.00 0.00 C ATOM 889 CD GLU A 56 13.917 7.652 1.547 1.00 0.00 C ATOM 890 OE1 GLU A 56 13.858 6.830 2.485 1.00 0.00 O ATOM 891 OE2 GLU A 56 13.995 7.317 0.347 1.00 0.00 O ATOM 0 H GLU A 56 16.778 11.507 3.260 1.00 0.00 H new ATOM 0 HA GLU A 56 14.708 9.645 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.356 10.680 1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.019 9.058 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.262 9.291 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.436 9.679 1.057 1.00 0.00 H new ATOM 898 N LEU A 57 16.222 7.823 4.900 1.00 0.00 N ATOM 899 CA LEU A 57 17.097 6.746 5.351 1.00 0.00 C ATOM 900 C LEU A 57 16.446 5.385 5.124 1.00 0.00 C ATOM 901 O LEU A 57 15.223 5.277 5.029 1.00 0.00 O ATOM 902 CB LEU A 57 17.434 6.922 6.832 1.00 0.00 C ATOM 903 CG LEU A 57 18.463 5.947 7.407 1.00 0.00 C ATOM 904 CD1 LEU A 57 19.789 6.079 6.675 1.00 0.00 C ATOM 905 CD2 LEU A 57 18.648 6.186 8.898 1.00 0.00 C ATOM 0 H LEU A 57 15.289 7.809 5.312 1.00 0.00 H new ATOM 0 HA LEU A 57 18.017 6.790 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.801 7.937 6.982 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.513 6.828 7.407 1.00 0.00 H new ATOM 0 HG LEU A 57 18.093 4.932 7.266 1.00 0.00 H new ATOM 0 HD11 LEU A 57 20.509 5.378 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 57 19.644 5.858 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 57 20.166 7.096 6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 57 19.383 5.484 9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 57 18.996 7.206 9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.697 6.040 9.411 1.00 0.00 H new ATOM 917 N THR A 58 17.272 4.346 5.040 1.00 0.00 N ATOM 918 CA THR A 58 16.777 2.992 4.825 1.00 0.00 C ATOM 919 C THR A 58 17.113 2.091 6.008 1.00 0.00 C ATOM 920 O THR A 58 18.015 2.372 6.798 1.00 0.00 O ATOM 921 CB THR A 58 17.365 2.376 3.542 1.00 0.00 C ATOM 922 OG1 THR A 58 18.670 2.912 3.294 1.00 0.00 O ATOM 923 CG2 THR A 58 16.463 2.651 2.348 1.00 0.00 C ATOM 0 H THR A 58 18.287 4.417 5.118 1.00 0.00 H new ATOM 0 HA THR A 58 15.694 3.063 4.721 1.00 0.00 H new ATOM 0 HB THR A 58 17.437 1.298 3.683 1.00 0.00 H new ATOM 0 HG1 THR A 58 19.037 2.514 2.477 1.00 0.00 H new ATOM 0 HG21 THR A 58 16.898 2.207 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 58 15.480 2.217 2.527 1.00 0.00 H new ATOM 0 HG23 THR A 58 16.364 3.727 2.207 1.00 0.00 H new ATOM 931 N PRO A 59 16.373 0.980 6.135 1.00 0.00 N ATOM 932 CA PRO A 59 16.575 0.013 7.218 1.00 0.00 C ATOM 933 C PRO A 59 17.883 -0.757 7.072 1.00 0.00 C ATOM 934 O PRO A 59 18.516 -1.119 8.064 1.00 0.00 O ATOM 935 CB PRO A 59 15.379 -0.932 7.079 1.00 0.00 C ATOM 936 CG PRO A 59 14.984 -0.833 5.645 1.00 0.00 C ATOM 937 CD PRO A 59 15.282 0.581 5.230 1.00 0.00 C ATOM 0 HA PRO A 59 16.640 0.500 8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 59 15.648 -1.954 7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.562 -0.636 7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.543 -1.544 5.036 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.927 -1.063 5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 59 15.586 0.637 4.185 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.410 1.225 5.343 1.00 0.00 H new ATOM 945 N TYR A 60 18.282 -1.005 5.829 1.00 0.00 N ATOM 946 CA TYR A 60 19.514 -1.734 5.553 1.00 0.00 C ATOM 947 C TYR A 60 20.710 -1.052 6.210 1.00 0.00 C ATOM 948 O TYR A 60 21.571 -1.710 6.792 1.00 0.00 O ATOM 949 CB TYR A 60 19.740 -1.842 4.044 1.00 0.00 C ATOM 950 CG TYR A 60 18.788 -2.795 3.356 1.00 0.00 C ATOM 951 CD1 TYR A 60 19.033 -4.162 3.339 1.00 0.00 C ATOM 952 CD2 TYR A 60 17.643 -2.327 2.723 1.00 0.00 C ATOM 953 CE1 TYR A 60 18.166 -5.036 2.711 1.00 0.00 C ATOM 954 CE2 TYR A 60 16.770 -3.193 2.094 1.00 0.00 C ATOM 955 CZ TYR A 60 17.036 -4.546 2.090 1.00 0.00 C ATOM 956 OH TYR A 60 16.170 -5.413 1.465 1.00 0.00 O ATOM 0 H TYR A 60 17.770 -0.712 4.997 1.00 0.00 H new ATOM 0 HA TYR A 60 19.415 -2.735 5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 60 19.636 -0.853 3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 60 20.764 -2.169 3.861 1.00 0.00 H new ATOM 0 HD1 TYR A 60 19.917 -4.549 3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.432 -1.268 2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 60 18.372 -6.096 2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 60 15.884 -2.812 1.608 1.00 0.00 H new ATOM 0 HH TYR A 60 15.424 -4.908 1.078 1.00 0.00 H new ATOM 966 N ASP A 61 20.754 0.272 6.112 1.00 0.00 N ATOM 967 CA ASP A 61 21.843 1.046 6.698 1.00 0.00 C ATOM 968 C ASP A 61 21.316 2.327 7.338 1.00 0.00 C ATOM 969 O ASP A 61 20.692 3.155 6.672 1.00 0.00 O ATOM 970 CB ASP A 61 22.886 1.385 5.633 1.00 0.00 C ATOM 971 CG ASP A 61 23.072 0.266 4.627 1.00 0.00 C ATOM 972 OD1 ASP A 61 22.322 0.234 3.629 1.00 0.00 O ATOM 973 OD2 ASP A 61 23.969 -0.577 4.838 1.00 0.00 O ATOM 0 H ASP A 61 20.049 0.832 5.633 1.00 0.00 H new ATOM 0 HA ASP A 61 22.311 0.440 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 61 22.585 2.293 5.110 1.00 0.00 H new ATOM 0 HB3 ASP A 61 23.839 1.597 6.117 1.00 0.00 H new ATOM 978 N LEU A 62 21.570 2.483 8.632 1.00 0.00 N ATOM 979 CA LEU A 62 21.120 3.663 9.363 1.00 0.00 C ATOM 980 C LEU A 62 22.284 4.611 9.634 1.00 0.00 C ATOM 981 O LEU A 62 22.205 5.471 10.511 1.00 0.00 O ATOM 982 CB LEU A 62 20.465 3.251 10.682 1.00 0.00 C ATOM 983 CG LEU A 62 21.334 2.430 11.636 1.00 0.00 C ATOM 984 CD1 LEU A 62 22.178 3.345 12.510 1.00 0.00 C ATOM 985 CD2 LEU A 62 20.469 1.519 12.494 1.00 0.00 C ATOM 0 H LEU A 62 22.085 1.808 9.197 1.00 0.00 H new ATOM 0 HA LEU A 62 20.386 4.184 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 62 20.143 4.153 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.567 2.676 10.455 1.00 0.00 H new ATOM 0 HG LEU A 62 22.004 1.808 11.043 1.00 0.00 H new ATOM 0 HD11 LEU A 62 22.790 2.743 13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 62 22.825 3.955 11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 62 21.525 3.993 13.095 1.00 0.00 H new ATOM 0 HD21 LEU A 62 21.104 0.942 13.167 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.774 2.122 13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.909 0.839 11.852 1.00 0.00 H new ATOM 997 N SER A 63 23.362 4.449 8.874 1.00 0.00 N ATOM 998 CA SER A 63 24.543 5.289 9.034 1.00 0.00 C ATOM 999 C SER A 63 24.839 6.060 7.751 1.00 0.00 C ATOM 1000 O SER A 63 25.978 6.454 7.499 1.00 0.00 O ATOM 1001 CB SER A 63 25.753 4.437 9.421 1.00 0.00 C ATOM 1002 OG SER A 63 25.824 4.259 10.825 1.00 0.00 O ATOM 0 H SER A 63 23.442 3.744 8.141 1.00 0.00 H new ATOM 0 HA SER A 63 24.343 6.006 9.830 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.689 3.465 8.931 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.666 4.914 9.065 1.00 0.00 H new ATOM 0 HG SER A 63 26.605 3.710 11.046 1.00 0.00 H new ATOM 1008 N ARG A 64 23.805 6.270 6.943 1.00 0.00 N ATOM 1009 CA ARG A 64 23.953 6.992 5.685 1.00 0.00 C ATOM 1010 C ARG A 64 22.594 7.232 5.032 1.00 0.00 C ATOM 1011 O ARG A 64 21.891 6.287 4.675 1.00 0.00 O ATOM 1012 CB ARG A 64 24.859 6.214 4.729 1.00 0.00 C ATOM 1013 CG ARG A 64 24.371 4.804 4.438 1.00 0.00 C ATOM 1014 CD ARG A 64 25.531 3.839 4.256 1.00 0.00 C ATOM 1015 NE ARG A 64 26.037 3.844 2.886 1.00 0.00 N ATOM 1016 CZ ARG A 64 27.043 3.083 2.471 1.00 0.00 C ATOM 1017 NH1 ARG A 64 27.648 2.259 3.316 1.00 0.00 N ATOM 1018 NH2 ARG A 64 27.446 3.144 1.208 1.00 0.00 N ATOM 0 H ARG A 64 22.856 5.951 7.137 1.00 0.00 H new ATOM 0 HA ARG A 64 24.409 7.958 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.939 6.763 3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.861 6.162 5.154 1.00 0.00 H new ATOM 0 HG2 ARG A 64 23.736 4.462 5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.756 4.809 3.538 1.00 0.00 H new ATOM 0 HD2 ARG A 64 26.336 4.106 4.941 1.00 0.00 H new ATOM 0 HD3 ARG A 64 25.209 2.832 4.520 1.00 0.00 H new ATOM 0 HE ARG A 64 25.593 4.466 2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 64 27.341 2.209 4.287 1.00 0.00 H new ATOM 0 HH12 ARG A 64 28.420 1.676 2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 64 26.983 3.776 0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 64 28.219 2.559 0.890 1.00 0.00 H new ATOM 1032 N ALA A 65 22.232 8.501 4.881 1.00 0.00 N ATOM 1033 CA ALA A 65 20.959 8.865 4.270 1.00 0.00 C ATOM 1034 C ALA A 65 21.139 9.984 3.251 1.00 0.00 C ATOM 1035 O ALA A 65 22.233 10.528 3.098 1.00 0.00 O ATOM 1036 CB ALA A 65 19.960 9.279 5.341 1.00 0.00 C ATOM 0 H ALA A 65 22.802 9.295 5.173 1.00 0.00 H new ATOM 0 HA ALA A 65 20.572 7.991 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.014 9.548 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.800 8.449 6.030 1.00 0.00 H new ATOM 0 HB3 ALA A 65 20.350 10.136 5.890 1.00 0.00 H new ATOM 1042 N ARG A 66 20.059 10.323 2.554 1.00 0.00 N ATOM 1043 CA ARG A 66 20.099 11.376 1.547 1.00 0.00 C ATOM 1044 C ARG A 66 19.501 12.671 2.090 1.00 0.00 C ATOM 1045 O ARG A 66 18.428 12.665 2.693 1.00 0.00 O ATOM 1046 CB ARG A 66 19.342 10.940 0.291 1.00 0.00 C ATOM 1047 CG ARG A 66 17.876 10.626 0.542 1.00 0.00 C ATOM 1048 CD ARG A 66 17.143 10.317 -0.754 1.00 0.00 C ATOM 1049 NE ARG A 66 16.499 9.007 -0.720 1.00 0.00 N ATOM 1050 CZ ARG A 66 17.142 7.866 -0.945 1.00 0.00 C ATOM 1051 NH1 ARG A 66 18.439 7.875 -1.219 1.00 0.00 N ATOM 1052 NH2 ARG A 66 16.486 6.713 -0.896 1.00 0.00 N ATOM 0 H ARG A 66 19.146 9.883 2.669 1.00 0.00 H new ATOM 0 HA ARG A 66 21.142 11.557 1.289 1.00 0.00 H new ATOM 0 HB2 ARG A 66 19.413 11.729 -0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 66 19.827 10.058 -0.128 1.00 0.00 H new ATOM 0 HG2 ARG A 66 17.796 9.775 1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 66 17.401 11.473 1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.392 11.085 -0.938 1.00 0.00 H new ATOM 0 HD3 ARG A 66 17.846 10.354 -1.586 1.00 0.00 H new ATOM 0 HE ARG A 66 15.501 8.965 -0.512 1.00 0.00 H new ATOM 0 HH11 ARG A 66 18.946 8.759 -1.258 1.00 0.00 H new ATOM 0 HH12 ARG A 66 18.930 6.998 -1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.488 6.703 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.980 5.837 -1.069 1.00 0.00 H new ATOM 1066 N ILE A 67 20.203 13.778 1.872 1.00 0.00 N ATOM 1067 CA ILE A 67 19.741 15.079 2.339 1.00 0.00 C ATOM 1068 C ILE A 67 18.614 15.610 1.460 1.00 0.00 C ATOM 1069 O ILE A 67 18.671 15.515 0.234 1.00 0.00 O ATOM 1070 CB ILE A 67 20.887 16.108 2.363 1.00 0.00 C ATOM 1071 CG1 ILE A 67 22.014 15.627 3.279 1.00 0.00 C ATOM 1072 CG2 ILE A 67 20.371 17.465 2.816 1.00 0.00 C ATOM 1073 CD1 ILE A 67 23.222 16.538 3.280 1.00 0.00 C ATOM 0 H ILE A 67 21.094 13.800 1.375 1.00 0.00 H new ATOM 0 HA ILE A 67 19.370 14.937 3.354 1.00 0.00 H new ATOM 0 HB ILE A 67 21.284 16.211 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 67 21.633 15.541 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 67 22.322 14.629 2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 67 21.193 18.181 2.828 1.00 0.00 H new ATOM 0 HG22 ILE A 67 19.599 17.809 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 67 19.951 17.378 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 67 23.981 16.135 3.951 1.00 0.00 H new ATOM 0 HD12 ILE A 67 23.628 16.605 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 67 22.928 17.531 3.619 1.00 0.00 H new ATOM 1085 N VAL A 68 17.590 16.172 2.095 1.00 0.00 N ATOM 1086 CA VAL A 68 16.450 16.722 1.371 1.00 0.00 C ATOM 1087 C VAL A 68 16.201 18.175 1.760 1.00 0.00 C ATOM 1088 O VAL A 68 16.680 18.643 2.793 1.00 0.00 O ATOM 1089 CB VAL A 68 15.172 15.905 1.634 1.00 0.00 C ATOM 1090 CG1 VAL A 68 14.132 16.179 0.558 1.00 0.00 C ATOM 1091 CG2 VAL A 68 15.495 14.420 1.709 1.00 0.00 C ATOM 0 H VAL A 68 17.527 16.258 3.109 1.00 0.00 H new ATOM 0 HA VAL A 68 16.694 16.670 0.310 1.00 0.00 H new ATOM 0 HB VAL A 68 14.756 16.212 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.236 15.593 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.880 17.239 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 68 14.535 15.901 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.580 13.858 1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 68 15.935 14.095 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.202 14.242 2.519 1.00 0.00 H new ATOM 1101 N PHE A 69 15.447 18.884 0.926 1.00 0.00 N ATOM 1102 CA PHE A 69 15.134 20.285 1.183 1.00 0.00 C ATOM 1103 C PHE A 69 14.601 20.472 2.600 1.00 0.00 C ATOM 1104 O PHE A 69 14.248 19.505 3.275 1.00 0.00 O ATOM 1105 CB PHE A 69 14.107 20.793 0.169 1.00 0.00 C ATOM 1106 CG PHE A 69 14.485 20.514 -1.258 1.00 0.00 C ATOM 1107 CD1 PHE A 69 15.751 20.825 -1.727 1.00 0.00 C ATOM 1108 CD2 PHE A 69 13.573 19.942 -2.130 1.00 0.00 C ATOM 1109 CE1 PHE A 69 16.102 20.569 -3.039 1.00 0.00 C ATOM 1110 CE2 PHE A 69 13.918 19.683 -3.444 1.00 0.00 C ATOM 1111 CZ PHE A 69 15.184 19.998 -3.899 1.00 0.00 C ATOM 0 H PHE A 69 15.042 18.512 0.067 1.00 0.00 H new ATOM 0 HA PHE A 69 16.053 20.862 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.142 20.331 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 69 13.980 21.868 0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 69 16.472 21.273 -1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.582 19.696 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 69 17.093 20.815 -3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 69 13.199 19.235 -4.114 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.455 19.798 -4.925 1.00 0.00 H new ATOM 1121 N ARG A 70 14.547 21.723 3.045 1.00 0.00 N ATOM 1122 CA ARG A 70 14.060 22.039 4.382 1.00 0.00 C ATOM 1123 C ARG A 70 12.744 21.319 4.665 1.00 0.00 C ATOM 1124 O ARG A 70 11.923 21.132 3.768 1.00 0.00 O ATOM 1125 CB ARG A 70 13.871 23.549 4.537 1.00 0.00 C ATOM 1126 CG ARG A 70 12.932 23.933 5.668 1.00 0.00 C ATOM 1127 CD ARG A 70 13.217 25.337 6.177 1.00 0.00 C ATOM 1128 NE ARG A 70 12.865 26.358 5.193 1.00 0.00 N ATOM 1129 CZ ARG A 70 13.330 27.602 5.227 1.00 0.00 C ATOM 1130 NH1 ARG A 70 14.161 27.977 6.189 1.00 0.00 N ATOM 1131 NH2 ARG A 70 12.964 28.473 4.296 1.00 0.00 N ATOM 0 H ARG A 70 14.835 22.535 2.499 1.00 0.00 H new ATOM 0 HA ARG A 70 14.804 21.698 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.842 24.012 4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.486 23.956 3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 70 11.900 23.873 5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.036 23.220 6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.656 25.510 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.274 25.424 6.427 1.00 0.00 H new ATOM 0 HE ARG A 70 12.228 26.102 4.439 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.445 27.310 6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.516 28.933 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.325 28.188 3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.321 29.428 4.322 1.00 0.00 H new ATOM 1145 N ALA A 71 12.553 20.918 5.918 1.00 0.00 N ATOM 1146 CA ALA A 71 11.337 20.221 6.319 1.00 0.00 C ATOM 1147 C ALA A 71 10.114 20.801 5.616 1.00 0.00 C ATOM 1148 O ALA A 71 9.976 22.017 5.490 1.00 0.00 O ATOM 1149 CB ALA A 71 11.162 20.291 7.829 1.00 0.00 C ATOM 0 H ALA A 71 13.224 21.064 6.672 1.00 0.00 H new ATOM 0 HA ALA A 71 11.433 19.176 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.250 19.767 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.017 19.823 8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.093 21.334 8.139 1.00 0.00 H new ATOM 1155 N LYS A 72 9.229 19.922 5.158 1.00 0.00 N ATOM 1156 CA LYS A 72 8.017 20.345 4.467 1.00 0.00 C ATOM 1157 C LYS A 72 6.968 20.837 5.460 1.00 0.00 C ATOM 1158 O LYS A 72 6.616 22.017 5.472 1.00 0.00 O ATOM 1159 CB LYS A 72 7.447 19.191 3.639 1.00 0.00 C ATOM 1160 CG LYS A 72 6.656 19.646 2.425 1.00 0.00 C ATOM 1161 CD LYS A 72 5.173 19.753 2.734 1.00 0.00 C ATOM 1162 CE LYS A 72 4.482 20.750 1.816 1.00 0.00 C ATOM 1163 NZ LYS A 72 3.211 21.257 2.404 1.00 0.00 N ATOM 0 H LYS A 72 9.329 18.911 5.253 1.00 0.00 H new ATOM 0 HA LYS A 72 8.278 21.168 3.801 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.266 18.552 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.803 18.582 4.274 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.029 20.613 2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.808 18.943 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.706 18.774 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.038 20.058 3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.151 21.588 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.275 20.277 0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.771 21.934 1.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.562 20.461 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.411 21.731 3.308 1.00 0.00 H new TER 1177 LYS A 72